Proceedings of thermal engineering conference
Online ISSN : 2433-1317
2002
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Pressure tensor and energy flow calculations in a local volume in molecular simulation
Tamio IKESHOJI
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CONFERENCE PROCEEDINGS FREE ACCESS

Pages 391-394

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Abstract
Equations of the local pressure tensor proposed by Irving and Kirkwood and those reformulated by Schofield and Henderson were carefully reviewed. We found that it is not true that any integration contour appeared in the equations gives the same pressure tensors, which has been believed since Schofield and Henderson's work. An example is Harasima's contour. Unphysical pressure profile was obtained by this contour in the uniform and equilibrium liquid. Irving-Kirkwood's contour gives the reasonable (uniform) pressure profile.
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© 2002 The Japan Society of Mechanical Engineers
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